N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide

C13H19N3O3S — CID 79685894

IUPACN-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H19N3O3S/c1-10(17)15-8-11-2-4-13(5-3-11)20(18,19)16-12-6-7-14-9-12/h2-5,12,14,16H,6-9H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyGUGSLMWSSSRLOR-GFCCVEGCSA-N
MW297.38 g/mol
LogP-0.04
Rot. Bonds5

About N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide

N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide (PubChem CID 79685894) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
PubChem CID79685894
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H19N3O3S/c1-10(17)15-8-11-2-4-13(5-3-11)20(18,19)16-12-6-7-14-9-12/h2-5,12,14,16H,6-9H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyGUGSLMWSSSRLOR-GFCCVEGCSA-N
XLogP-0.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707602
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 120707655
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 119967297
N-[2-(dimethylamino)ethyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 70720005
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide (CID 79685894) is N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1.
What is the InChIKey of N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is GUGSLMWSSSRLOR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10(17)15-8-11-2-4-13(5-3-11)20(18,19)16-12-6-7-14-9-12/h2-5,12,14,16H,6-9H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide?
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 297.38 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 79685894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).